CHEBI:83668 - (S)-isoconazole

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ChEBI Name (S)-isoconazole ChEBI ID CHEBI:83668 ChEBI ASCII Name (S)-isoconazole Definition A 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of isoconazole. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H14Cl4N2O Net Charge 0 Average Mass 416.12900 Monoisotopic Mass 413.98602 InChI InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2/t18-/m1/s1 InChIKey MPIPASJGOJYODL-GOSISDBHSA-N SMILES Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 ChEBI Ontology Outgoing (S)-isoconazole (CHEBI:83668) is a 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole (CHEBI:83667) (S)-isoconazole (CHEBI:83668) is conjugate base of (S)-isoconazole(1+) (CHEBI:83673) (S)-isoconazole (CHEBI:83668) is enantiomer of (R)-isoconazole (CHEBI:83666) Incoming isoconazole (CHEBI:82865) has part (S)-isoconazole (CHEBI:83668) (S)-isoconazole(1+) (CHEBI:83673) is conjugate acid of (S)-isoconazole (CHEBI:83668) (R)-isoconazole (CHEBI:83666) is enantiomer of (S)-isoconazole (CHEBI:83668) IUPAC Name 1-[(2S)-2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole Registry Number Type Source 20583119 Reaxys Registry Number Reaxys Last Modified 09 July 2015